1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea

C25H17F3N4OS — CID 44525390

IUPAC1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea
SMILESO=C(Nc1ccsc1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1
InChIInChI=1S/C25H17F3N4OS/c26-25(27,28)18-8-9-21-22(13-18)32-23(31-21)16-6-4-15(5-7-16)17-2-1-3-19(12-17)29-24(33)30-20-10-11-34-14-20/h1-14H,(H,31,32)(H2,29,30,33)
InChIKeyZRZUPCZNRMPARA-UHFFFAOYSA-N
MW478.50 g/mol
LogP7.62
Rot. Bonds4

About 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea

1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea (PubChem CID 44525390) has the molecular formula C25H17F3N4OS and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea.

Molecular Properties

Compound Name1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea
PubChem CID44525390
Molecular FormulaC25H17F3N4OS
Molecular Weight478.50 g/mol
Exact Mass478.11
IUPAC Name1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea
SMILESO=C(Nc1ccsc1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1
InChIInChI=1S/C25H17F3N4OS/c26-25(27,28)18-8-9-21-22(13-18)32-23(31-21)16-6-4-15(5-7-16)17-2-1-3-19(12-17)29-24(33)30-20-10-11-34-14-20/h1-14H,(H,31,32)(H2,29,30,33)
InChIKeyZRZUPCZNRMPARA-UHFFFAOYSA-N
XLogP7.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 57.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581416
1,3-dimethyl-5-[4-phenyl-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581429
5-[4-(2-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581649
5-[4-(3-ethylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581658
5-[4-(3-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581659
5-[4-(4-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581670
2-(2-thienyl)-1H-phenanthro[9,10-d]imidazole
CID 302174
1,3-dimethyl-5-[2-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581403
1,3-dimethyl-5-[4-(2-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581427
1,3-dimethyl-5-[4-(4-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581434
5-[4-(4-ethylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581665

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea?
The IUPAC name of 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea (CID 44525390) is 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea.
What is the SMILES notation for 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea?
The canonical SMILES for 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea is O=C(Nc1ccsc1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1.
What is the InChIKey of 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea?
The InChIKey is ZRZUPCZNRMPARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4OS/c26-25(27,28)18-8-9-21-22(13-18)32-23(31-21)16-6-4-15(5-7-16)17-2-1-3-19(12-17)29-24(33)30-20-10-11-34-14-20/h1-14H,(H,31,32)(H2,29,30,33).
What are the key properties of 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea?
1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea has a molecular weight of 478.50 g/mol, XLogP of 7.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea is sourced from PubChem (CID 44525390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).